N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine

C19H27FN2O2 — CID 167950354

IUPACN-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine
SMILESCOCC(NCCc1c(C)[nH]c2cc(F)ccc12)C1CCOCC1
InChIInChI=1S/C19H27FN2O2/c1-13-16(17-4-3-15(20)11-18(17)22-13)5-8-21-19(12-23-2)14-6-9-24-10-7-14/h3-4,11,14,19,21-22H,5-10,12H2,1-2H3
InChIKeySNOASGPPCYFAFQ-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.19
Rot. Bonds7

About N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine

N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine (PubChem CID 167950354) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine
PubChem CID167950354
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC NameN-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine
SMILESCOCC(NCCc1c(C)[nH]c2cc(F)ccc12)C1CCOCC1
InChIInChI=1S/C19H27FN2O2/c1-13-16(17-4-3-15(20)11-18(17)22-13)5-8-21-19(12-23-2)14-6-9-24-10-7-14/h3-4,11,14,19,21-22H,5-10,12H2,1-2H3
InChIKeySNOASGPPCYFAFQ-UHFFFAOYSA-N
XLogP3.19
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine (CID 167950354) is N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine is COCC(NCCc1c(C)[nH]c2cc(F)ccc12)C1CCOCC1.
What is the InChIKey of N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine?
The InChIKey is SNOASGPPCYFAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-13-16(17-4-3-15(20)11-18(17)22-13)5-8-21-19(12-23-2)14-6-9-24-10-7-14/h3-4,11,14,19,21-22H,5-10,12H2,1-2H3.
What are the key properties of N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine?
N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine has a molecular weight of 334.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 167950354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).